General Information of the Compound
| Compound ID |
CP0389199
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| Compound Name |
2-[[1-(1,3-benzodioxol-5-yl)-2-(6-methylpyridin-2-yl)imidazol-4-yl]methyl]isoindole-1,3-dione
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| Structure |
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| Formula |
C25H18N4O4
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| Molecular Weight |
438.443
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| Canonical SMILES |
Cc1cccc(n1)-c1nc(CN2C(=O)c3ccccc3C2=O)cn1-c1ccc2OCOc2c1
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| InChI |
InChI=1S/C25H18N4O4/c1-15-5-4-8-20(26-15)23-27-16(12-28(23)17-9-10-21-22(11-17)33-14-32-21)13-29-24(30)18-6-2-3-7-19(18)25(29)31/h2-12H,13-14H2,1H3
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| InChIKey |
PNZYHTLARWBTKK-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound